SCHEMBL7122459

SCHEMBL7122459

COc1ccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HPGDS O60760 7/20 0.37
BRAF P15056 1/20 0.36
GRM5 P41594 1/20 0.36
PAK1 Q13153 1/20 0.35
SSTR3 P32745 1/20 0.35
F10 P00742 1/20 0.35
HAO1 Q9UJM8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7123966 0.88 GRM5 (0.43) SLC6A2SLC6A4SLC6A3GRM5SSTR3
SCHEMBL7113610 0.87 BRAF (0.37) SLC6A2SLC6A4SLC6A3BRAF
SCHEMBL7115118 0.87 CHEK2 (0.36) SLC6A2SLC6A4SLC6A3BRAFPAK1
SCHEMBL7124402 0.86 BRAF (0.40) SLC6A4SLC6A3BRAF
SCHEMBL7114457 0.86 HPGDS (0.36) SLC6A2SLC6A4SLC6A3HPGDSGRM5
SCHEMBL7116911 0.83 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HPGDSGRM5
SCHEMBL7114448 0.83 KDR (0.41) BRAF
SCHEMBL7123339 0.83 POLB (0.43) HPGDSGRM5PAK1
SCHEMBL7125022 0.83 EPHX2 (0.42) GRM5
SCHEMBL7116858 0.82 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HPGDS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 SLC6A2 1156/4885SLC6A4 2137/4885SLC6A3 2265/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.